N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide

C26H37N3O2 — CID 164611173

IUPACN-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NC4CCCCC4)cc1)(C3)C2
InChIInChI=1S/C26H37N3O2/c1-24-12-18-13-25(2,15-24)17-26(14-18,16-24)29-23(31)28-21-10-8-19(9-11-21)22(30)27-20-6-4-3-5-7-20/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyPRLWTFJRGVXVMT-UHFFFAOYSA-N
MW423.60 g/mol
LogP5.62
Rot. Bonds4

About N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide

N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide (PubChem CID 164611173) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide
PubChem CID164611173
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC NameN-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NC4CCCCC4)cc1)(C3)C2
InChIInChI=1S/C26H37N3O2/c1-24-12-18-13-25(2,15-24)17-26(14-18,16-24)29-23(31)28-21-10-8-19(9-11-21)22(30)27-20-6-4-3-5-7-20/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,27,30)(H2,28,29,31)
InChIKeyPRLWTFJRGVXVMT-UHFFFAOYSA-N
XLogP5.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide?
The IUPAC name of N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide (CID 164611173) is N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide is CC12CC3CC(C)(C1)CC(NC(=O)Nc1ccc(C(=O)NC4CCCCC4)cc1)(C3)C2.
What is the InChIKey of N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide?
The InChIKey is PRLWTFJRGVXVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c1-24-12-18-13-25(2,15-24)17-26(14-18,16-24)29-23(31)28-21-10-8-19(9-11-21)22(30)27-20-6-4-3-5-7-20/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,27,30)(H2,28,29,31).
What are the key properties of N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide?
N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide has a molecular weight of 423.60 g/mol, XLogP of 5.62, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3,5-dimethyl-1-adamantyl)carbamoylamino]benzamide is sourced from PubChem (CID 164611173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).